USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 31:sc= 0.114 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -112:sc= 0 (180deg=-1.37) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -86:sc= 0.0358 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -140:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.91! K(o=-3.9!,f=-0.74) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.625 K(o=-0.62,f=-11!) USER MOD Single : A 52 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.29 K(o=-1.3,f=0.89) USER MOD Single : A 61 THR OG1 : rot -83:sc= 0.493 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 0.768 12.968 -1.317 1.00 0.00 N ATOM 94 CA THR A 10 -0.171 11.906 -0.977 1.00 0.00 C ATOM 95 C THR A 10 0.563 10.631 -0.575 1.00 0.00 C ATOM 96 O THR A 10 1.632 10.325 -1.103 1.00 0.00 O ATOM 97 CB THR A 10 -1.114 11.591 -2.154 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.756 12.791 -2.601 1.00 0.00 O ATOM 99 CG2 THR A 10 -2.164 10.569 -1.748 1.00 0.00 C ATOM 0 HA THR A 10 -0.761 12.265 -0.134 1.00 0.00 H new ATOM 0 HB THR A 10 -0.519 11.173 -2.966 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.159 13.555 -2.456 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.818 10.363 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.673 9.647 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.755 10.963 -0.921 1.00 0.00 H new ATOM 107 N LYS A 11 -0.018 9.891 0.364 1.00 0.00 N ATOM 108 CA LYS A 11 0.580 8.648 0.837 1.00 0.00 C ATOM 109 C LYS A 11 -0.486 7.576 1.041 1.00 0.00 C ATOM 110 O LYS A 11 -1.681 7.848 0.934 1.00 0.00 O ATOM 111 CB LYS A 11 1.335 8.887 2.146 1.00 0.00 C ATOM 112 CG LYS A 11 2.551 9.784 1.991 1.00 0.00 C ATOM 113 CD LYS A 11 3.796 8.983 1.651 1.00 0.00 C ATOM 114 CE LYS A 11 5.006 9.885 1.459 1.00 0.00 C ATOM 115 NZ LYS A 11 5.536 10.385 2.758 1.00 0.00 N ATOM 0 H LYS A 11 -0.902 10.131 0.812 1.00 0.00 H new ATOM 0 HA LYS A 11 1.281 8.299 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.655 9.333 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.652 7.927 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.365 10.518 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.715 10.338 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.998 8.267 2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.622 8.408 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.788 9.337 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.732 10.731 0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.360 10.996 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.798 10.930 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.821 9.579 3.350 1.00 0.00 H new ATOM 129 N ALA A 12 -0.044 6.358 1.337 1.00 0.00 N ATOM 130 CA ALA A 12 -0.960 5.246 1.560 1.00 0.00 C ATOM 131 C ALA A 12 -0.303 4.153 2.396 1.00 0.00 C ATOM 132 O ALA A 12 0.851 3.793 2.168 1.00 0.00 O ATOM 133 CB ALA A 12 -1.438 4.681 0.230 1.00 0.00 C ATOM 0 H ALA A 12 0.943 6.116 1.428 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.821 5.622 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.121 3.851 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.954 5.460 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.582 4.327 -0.344 1.00 0.00 H new ATOM 139 N ARG A 13 -1.047 3.630 3.366 1.00 0.00 N ATOM 140 CA ARG A 13 -0.535 2.579 4.238 1.00 0.00 C ATOM 141 C ARG A 13 -1.026 1.208 3.782 1.00 0.00 C ATOM 142 O ARG A 13 -2.201 1.033 3.459 1.00 0.00 O ATOM 143 CB ARG A 13 -0.966 2.832 5.683 1.00 0.00 C ATOM 144 CG ARG A 13 -0.145 2.064 6.707 1.00 0.00 C ATOM 145 CD ARG A 13 -0.499 2.476 8.127 1.00 0.00 C ATOM 146 NE ARG A 13 -0.011 3.815 8.446 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.007 4.323 9.674 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.461 3.606 10.693 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.454 5.549 9.885 1.00 0.00 N ATOM 0 H ARG A 13 -2.005 3.917 3.568 1.00 0.00 H new ATOM 0 HA ARG A 13 0.554 2.593 4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.890 3.899 5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.016 2.560 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.316 0.995 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.916 2.240 6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.581 2.445 8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.074 1.759 8.829 1.00 0.00 H new ATOM 0 HE ARG A 13 0.346 4.392 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.814 2.662 10.535 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.457 3.998 11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.806 6.103 9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.456 5.938 10.828 1.00 0.00 H new ATOM 163 N VAL A 14 -0.117 0.238 3.757 1.00 0.00 N ATOM 164 CA VAL A 14 -0.457 -1.118 3.341 1.00 0.00 C ATOM 165 C VAL A 14 -1.069 -1.908 4.492 1.00 0.00 C ATOM 166 O VAL A 14 -0.603 -1.831 5.628 1.00 0.00 O ATOM 167 CB VAL A 14 0.781 -1.870 2.816 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.385 -3.235 2.273 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.492 -1.049 1.752 1.00 0.00 C ATOM 0 H VAL A 14 0.860 0.366 4.020 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.187 -1.030 2.537 1.00 0.00 H new ATOM 0 HB VAL A 14 1.472 -2.022 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.272 -3.752 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.076 -3.823 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.325 -3.109 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.364 -1.596 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.812 -0.864 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.811 -0.098 2.179 1.00 0.00 H new ATOM 179 N MET A 15 -2.116 -2.668 4.189 1.00 0.00 N ATOM 180 CA MET A 15 -2.792 -3.475 5.199 1.00 0.00 C ATOM 181 C MET A 15 -2.366 -4.937 5.101 1.00 0.00 C ATOM 182 O MET A 15 -2.204 -5.615 6.115 1.00 0.00 O ATOM 183 CB MET A 15 -4.309 -3.362 5.041 1.00 0.00 C ATOM 184 CG MET A 15 -4.783 -1.956 4.713 1.00 0.00 C ATOM 185 SD MET A 15 -6.481 -1.655 5.240 1.00 0.00 S ATOM 186 CE MET A 15 -7.392 -2.422 3.902 1.00 0.00 C ATOM 0 H MET A 15 -2.515 -2.742 3.253 1.00 0.00 H new ATOM 0 HA MET A 15 -2.507 -3.097 6.181 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.635 -4.040 4.252 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.788 -3.692 5.963 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.124 -1.233 5.194 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.706 -1.792 3.638 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.909 -1.654 3.327 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.701 -2.959 3.252 1.00 0.00 H new ATOM 0 HE3 MET A 15 -8.121 -3.121 4.312 1.00 0.00 H new ATOM 196 N TYR A 16 -2.186 -5.415 3.875 1.00 0.00 N ATOM 197 CA TYR A 16 -1.782 -6.797 3.645 1.00 0.00 C ATOM 198 C TYR A 16 -0.568 -6.863 2.723 1.00 0.00 C ATOM 199 O TYR A 16 -0.449 -6.083 1.778 1.00 0.00 O ATOM 200 CB TYR A 16 -2.939 -7.595 3.042 1.00 0.00 C ATOM 201 CG TYR A 16 -4.268 -7.336 3.714 1.00 0.00 C ATOM 202 CD1 TYR A 16 -5.081 -6.284 3.308 1.00 0.00 C ATOM 203 CD2 TYR A 16 -4.712 -8.142 4.755 1.00 0.00 C ATOM 204 CE1 TYR A 16 -6.296 -6.043 3.919 1.00 0.00 C ATOM 205 CE2 TYR A 16 -5.926 -7.909 5.370 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.715 -6.859 4.949 1.00 0.00 C ATOM 207 OH TYR A 16 -7.924 -6.623 5.561 1.00 0.00 O ATOM 0 H TYR A 16 -2.313 -4.866 3.025 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.510 -7.234 4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.024 -7.352 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.709 -8.658 3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.757 -5.644 2.501 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.097 -8.965 5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.914 -5.220 3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.256 -8.546 6.177 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.070 -7.289 6.265 1.00 0.00 H new ATOM 217 N ASP A 17 0.329 -7.801 3.004 1.00 0.00 N ATOM 218 CA ASP A 17 1.534 -7.973 2.200 1.00 0.00 C ATOM 219 C ASP A 17 1.182 -8.406 0.780 1.00 0.00 C ATOM 220 O ASP A 17 0.621 -9.481 0.569 1.00 0.00 O ATOM 221 CB ASP A 17 2.462 -9.003 2.846 1.00 0.00 C ATOM 222 CG ASP A 17 1.994 -10.427 2.617 1.00 0.00 C ATOM 223 OD1 ASP A 17 0.791 -10.696 2.817 1.00 0.00 O ATOM 224 OD2 ASP A 17 2.831 -11.272 2.238 1.00 0.00 O ATOM 0 H ASP A 17 0.245 -8.454 3.783 1.00 0.00 H new ATOM 0 HA ASP A 17 2.049 -7.013 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.468 -8.885 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.523 -8.811 3.917 1.00 0.00 H new ATOM 229 N PHE A 18 1.516 -7.561 -0.190 1.00 0.00 N ATOM 230 CA PHE A 18 1.233 -7.855 -1.590 1.00 0.00 C ATOM 231 C PHE A 18 2.497 -8.307 -2.317 1.00 0.00 C ATOM 232 O PHE A 18 3.611 -7.973 -1.913 1.00 0.00 O ATOM 233 CB PHE A 18 0.645 -6.625 -2.284 1.00 0.00 C ATOM 234 CG PHE A 18 0.245 -6.874 -3.710 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.651 -7.883 -4.026 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.766 -6.100 -4.735 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.021 -8.115 -5.337 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.399 -6.327 -6.048 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.495 -7.337 -6.349 1.00 0.00 C ATOM 0 H PHE A 18 1.983 -6.668 -0.032 1.00 0.00 H new ATOM 0 HA PHE A 18 0.505 -8.665 -1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.227 -6.285 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.377 -5.818 -2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.065 -8.495 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.466 -5.311 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.721 -8.904 -5.570 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.810 -5.716 -6.838 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.782 -7.517 -7.374 1.00 0.00 H new ATOM 249 N ALA A 19 2.315 -9.068 -3.391 1.00 0.00 N ATOM 250 CA ALA A 19 3.439 -9.565 -4.175 1.00 0.00 C ATOM 251 C ALA A 19 3.269 -9.229 -5.652 1.00 0.00 C ATOM 252 O ALA A 19 2.316 -9.672 -6.293 1.00 0.00 O ATOM 253 CB ALA A 19 3.591 -11.067 -3.986 1.00 0.00 C ATOM 0 H ALA A 19 1.400 -9.354 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 19 4.344 -9.072 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.434 -11.425 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.768 -11.285 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.680 -11.569 -4.312 1.00 0.00 H new ATOM 259 N ALA A 20 4.198 -8.444 -6.187 1.00 0.00 N ATOM 260 CA ALA A 20 4.150 -8.050 -7.590 1.00 0.00 C ATOM 261 C ALA A 20 5.392 -8.527 -8.336 1.00 0.00 C ATOM 262 O ALA A 20 6.515 -8.358 -7.861 1.00 0.00 O ATOM 263 CB ALA A 20 4.008 -6.540 -7.710 1.00 0.00 C ATOM 0 H ALA A 20 4.993 -8.068 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 20 3.280 -8.523 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.974 -6.260 -8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.088 -6.221 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.860 -6.055 -7.234 1.00 0.00 H new ATOM 319 N ASN A 25 3.804 -4.541 -14.853 1.00 0.00 N ATOM 320 CA ASN A 25 3.647 -3.135 -14.497 1.00 0.00 C ATOM 321 C ASN A 25 3.062 -2.991 -13.095 1.00 0.00 C ATOM 322 O ASN A 25 2.270 -2.087 -12.833 1.00 0.00 O ATOM 323 CB ASN A 25 2.747 -2.428 -15.512 1.00 0.00 C ATOM 324 CG ASN A 25 3.531 -1.841 -16.670 1.00 0.00 C ATOM 325 OD1 ASN A 25 4.556 -2.386 -17.079 1.00 0.00 O ATOM 326 ND2 ASN A 25 3.050 -0.724 -17.204 1.00 0.00 N ATOM 0 HA ASN A 25 4.633 -2.670 -14.510 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.012 -3.135 -15.896 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.194 -1.633 -15.011 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.534 -0.283 -17.986 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.196 -0.307 -16.832 1.00 0.00 H new ATOM 333 N GLU A 26 3.460 -3.889 -12.199 1.00 0.00 N ATOM 334 CA GLU A 26 2.974 -3.861 -10.824 1.00 0.00 C ATOM 335 C GLU A 26 4.126 -3.654 -9.845 1.00 0.00 C ATOM 336 O GLU A 26 5.251 -4.093 -10.090 1.00 0.00 O ATOM 337 CB GLU A 26 2.237 -5.160 -10.494 1.00 0.00 C ATOM 338 CG GLU A 26 0.776 -5.153 -10.911 1.00 0.00 C ATOM 339 CD GLU A 26 -0.072 -6.100 -10.083 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.250 -6.299 -8.893 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.058 -6.641 -10.626 1.00 0.00 O ATOM 0 H GLU A 26 4.116 -4.643 -12.400 1.00 0.00 H new ATOM 0 HA GLU A 26 2.282 -3.025 -10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.743 -5.990 -10.987 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.299 -5.341 -9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.380 -4.142 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.701 -5.429 -11.963 1.00 0.00 H new ATOM 348 N LEU A 27 3.838 -2.983 -8.735 1.00 0.00 N ATOM 349 CA LEU A 27 4.849 -2.717 -7.718 1.00 0.00 C ATOM 350 C LEU A 27 4.644 -3.611 -6.499 1.00 0.00 C ATOM 351 O LEU A 27 3.517 -3.985 -6.172 1.00 0.00 O ATOM 352 CB LEU A 27 4.806 -1.246 -7.300 1.00 0.00 C ATOM 353 CG LEU A 27 5.618 -0.877 -6.058 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.108 -0.989 -6.343 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.267 0.527 -5.589 1.00 0.00 C ATOM 0 H LEU A 27 2.913 -2.613 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 27 5.827 -2.938 -8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.161 -0.641 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.766 -0.969 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 27 5.367 -1.577 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.671 -0.723 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.347 -2.013 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.375 -0.312 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.854 0.773 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.489 1.242 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.206 0.574 -5.345 1.00 0.00 H new ATOM 367 N THR A 28 5.740 -3.948 -5.827 1.00 0.00 N ATOM 368 CA THR A 28 5.681 -4.796 -4.643 1.00 0.00 C ATOM 369 C THR A 28 5.555 -3.961 -3.374 1.00 0.00 C ATOM 370 O THR A 28 6.323 -3.024 -3.157 1.00 0.00 O ATOM 371 CB THR A 28 6.928 -5.693 -4.532 1.00 0.00 C ATOM 372 OG1 THR A 28 7.111 -6.431 -5.746 1.00 0.00 O ATOM 373 CG2 THR A 28 6.798 -6.657 -3.362 1.00 0.00 C ATOM 0 H THR A 28 6.680 -3.646 -6.083 1.00 0.00 H new ATOM 0 HA THR A 28 4.798 -5.426 -4.749 1.00 0.00 H new ATOM 0 HB THR A 28 7.794 -5.054 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.907 -6.998 -5.668 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.690 -7.280 -3.303 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.688 -6.093 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.922 -7.290 -3.507 1.00 0.00 H new ATOM 381 N VAL A 29 4.581 -4.307 -2.538 1.00 0.00 N ATOM 382 CA VAL A 29 4.356 -3.590 -1.289 1.00 0.00 C ATOM 383 C VAL A 29 4.126 -4.558 -0.133 1.00 0.00 C ATOM 384 O VAL A 29 3.734 -5.707 -0.339 1.00 0.00 O ATOM 385 CB VAL A 29 3.147 -2.641 -1.396 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.395 -1.580 -2.457 1.00 0.00 C ATOM 387 CG2 VAL A 29 1.880 -3.426 -1.700 1.00 0.00 C ATOM 0 H VAL A 29 3.935 -5.079 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 29 5.254 -3.003 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 29 3.014 -2.138 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.531 -0.919 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.278 -0.999 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.554 -2.061 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.036 -2.740 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.999 -3.956 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.697 -4.144 -0.901 1.00 0.00 H new ATOM 397 N THR A 30 4.374 -4.087 1.085 1.00 0.00 N ATOM 398 CA THR A 30 4.195 -4.910 2.274 1.00 0.00 C ATOM 399 C THR A 30 3.451 -4.147 3.364 1.00 0.00 C ATOM 400 O THR A 30 3.458 -2.917 3.388 1.00 0.00 O ATOM 401 CB THR A 30 5.548 -5.391 2.833 1.00 0.00 C ATOM 402 OG1 THR A 30 6.346 -4.266 3.219 1.00 0.00 O ATOM 403 CG2 THR A 30 6.296 -6.219 1.799 1.00 0.00 C ATOM 0 H THR A 30 4.700 -3.139 1.274 1.00 0.00 H new ATOM 0 HA THR A 30 3.605 -5.776 1.973 1.00 0.00 H new ATOM 0 HB THR A 30 5.355 -6.015 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.849 -3.940 2.444 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.248 -6.548 2.216 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.698 -7.090 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.478 -5.614 0.911 1.00 0.00 H new ATOM 411 N GLU A 31 2.809 -4.886 4.264 1.00 0.00 N ATOM 412 CA GLU A 31 2.060 -4.277 5.357 1.00 0.00 C ATOM 413 C GLU A 31 2.963 -3.389 6.208 1.00 0.00 C ATOM 414 O GLU A 31 4.054 -3.795 6.606 1.00 0.00 O ATOM 415 CB GLU A 31 1.419 -5.359 6.230 1.00 0.00 C ATOM 416 CG GLU A 31 0.658 -4.806 7.423 1.00 0.00 C ATOM 417 CD GLU A 31 1.540 -4.618 8.642 1.00 0.00 C ATOM 418 OE1 GLU A 31 2.778 -4.596 8.480 1.00 0.00 O ATOM 419 OE2 GLU A 31 0.993 -4.494 9.757 1.00 0.00 O ATOM 0 H GLU A 31 2.793 -5.906 4.258 1.00 0.00 H new ATOM 0 HA GLU A 31 1.275 -3.657 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.739 -5.952 5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.197 -6.034 6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.211 -3.850 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.160 -5.482 7.672 1.00 0.00 H new ATOM 426 N GLY A 32 2.499 -2.174 6.483 1.00 0.00 N ATOM 427 CA GLY A 32 3.277 -1.247 7.284 1.00 0.00 C ATOM 428 C GLY A 32 4.173 -0.362 6.440 1.00 0.00 C ATOM 429 O GLY A 32 4.497 0.758 6.834 1.00 0.00 O ATOM 0 H GLY A 32 1.599 -1.815 6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.602 -0.623 7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.888 -1.807 7.992 1.00 0.00 H new ATOM 433 N GLU A 33 4.575 -0.866 5.278 1.00 0.00 N ATOM 434 CA GLU A 33 5.441 -0.113 4.378 1.00 0.00 C ATOM 435 C GLU A 33 4.665 1.000 3.680 1.00 0.00 C ATOM 436 O GLU A 33 3.627 0.755 3.065 1.00 0.00 O ATOM 437 CB GLU A 33 6.066 -1.045 3.338 1.00 0.00 C ATOM 438 CG GLU A 33 6.847 -0.315 2.258 1.00 0.00 C ATOM 439 CD GLU A 33 7.851 -1.210 1.557 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.312 -2.187 2.183 1.00 0.00 O ATOM 441 OE2 GLU A 33 8.174 -0.933 0.383 1.00 0.00 O ATOM 0 H GLU A 33 4.315 -1.792 4.938 1.00 0.00 H new ATOM 0 HA GLU A 33 6.234 0.340 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.730 -1.746 3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.277 -1.634 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.151 0.090 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.369 0.532 2.703 1.00 0.00 H new ATOM 448 N ILE A 34 5.176 2.222 3.780 1.00 0.00 N ATOM 449 CA ILE A 34 4.532 3.372 3.159 1.00 0.00 C ATOM 450 C ILE A 34 5.171 3.699 1.813 1.00 0.00 C ATOM 451 O ILE A 34 6.388 3.607 1.654 1.00 0.00 O ATOM 452 CB ILE A 34 4.604 4.616 4.064 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.845 4.368 5.369 1.00 0.00 C ATOM 454 CG2 ILE A 34 4.043 5.831 3.341 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.432 3.871 5.161 1.00 0.00 C ATOM 0 H ILE A 34 6.034 2.441 4.285 1.00 0.00 H new ATOM 0 HA ILE A 34 3.486 3.104 3.008 1.00 0.00 H new ATOM 0 HB ILE A 34 5.649 4.812 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.394 3.639 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.815 5.294 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.101 6.702 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.623 6.016 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.003 5.647 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.954 3.717 6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.867 4.609 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.455 2.929 4.613 1.00 0.00 H new ATOM 467 N ILE A 35 4.341 4.083 0.848 1.00 0.00 N ATOM 468 CA ILE A 35 4.826 4.427 -0.483 1.00 0.00 C ATOM 469 C ILE A 35 4.265 5.768 -0.942 1.00 0.00 C ATOM 470 O ILE A 35 3.393 6.346 -0.291 1.00 0.00 O ATOM 471 CB ILE A 35 4.452 3.346 -1.514 1.00 0.00 C ATOM 472 CG1 ILE A 35 2.933 3.179 -1.582 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.121 2.025 -1.164 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.451 2.548 -2.870 1.00 0.00 C ATOM 0 H ILE A 35 3.331 4.164 0.963 1.00 0.00 H new ATOM 0 HA ILE A 35 5.912 4.494 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 35 4.808 3.662 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.605 2.567 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.463 4.156 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.847 1.271 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.203 2.154 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.793 1.702 -0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.365 2.461 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.748 3.171 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.892 1.557 -2.977 1.00 0.00 H new ATOM 486 N THR A 36 4.769 6.259 -2.070 1.00 0.00 N ATOM 487 CA THR A 36 4.318 7.532 -2.618 1.00 0.00 C ATOM 488 C THR A 36 3.244 7.324 -3.680 1.00 0.00 C ATOM 489 O THR A 36 3.418 6.534 -4.607 1.00 0.00 O ATOM 490 CB THR A 36 5.487 8.324 -3.235 1.00 0.00 C ATOM 491 OG1 THR A 36 6.522 8.506 -2.263 1.00 0.00 O ATOM 492 CG2 THR A 36 5.016 9.679 -3.741 1.00 0.00 C ATOM 0 H THR A 36 5.490 5.794 -2.622 1.00 0.00 H new ATOM 0 HA THR A 36 3.900 8.102 -1.789 1.00 0.00 H new ATOM 0 HB THR A 36 5.877 7.755 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.262 9.009 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.859 10.219 -4.172 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.249 9.537 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.602 10.253 -2.912 1.00 0.00 H new ATOM 500 N VAL A 37 2.133 8.040 -3.539 1.00 0.00 N ATOM 501 CA VAL A 37 1.030 7.935 -4.487 1.00 0.00 C ATOM 502 C VAL A 37 1.213 8.903 -5.651 1.00 0.00 C ATOM 503 O VAL A 37 1.085 10.117 -5.490 1.00 0.00 O ATOM 504 CB VAL A 37 -0.323 8.216 -3.808 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.458 8.116 -4.816 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.545 7.258 -2.647 1.00 0.00 C ATOM 0 H VAL A 37 1.973 8.699 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 37 1.033 6.912 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.308 9.232 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.406 8.318 -4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.304 8.845 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.479 7.113 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.506 7.471 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.540 6.232 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.252 7.384 -1.914 1.00 0.00 H new ATOM 516 N THR A 38 1.512 8.357 -6.826 1.00 0.00 N ATOM 517 CA THR A 38 1.713 9.171 -8.018 1.00 0.00 C ATOM 518 C THR A 38 0.441 9.244 -8.854 1.00 0.00 C ATOM 519 O THR A 38 0.141 10.274 -9.456 1.00 0.00 O ATOM 520 CB THR A 38 2.857 8.618 -8.889 1.00 0.00 C ATOM 521 OG1 THR A 38 2.547 7.287 -9.317 1.00 0.00 O ATOM 522 CG2 THR A 38 4.170 8.617 -8.122 1.00 0.00 C ATOM 0 H THR A 38 1.620 7.354 -6.977 1.00 0.00 H new ATOM 0 HA THR A 38 1.978 10.172 -7.677 1.00 0.00 H new ATOM 0 HB THR A 38 2.965 9.264 -9.761 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.356 6.735 -9.280 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.962 8.222 -8.758 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.418 9.636 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.072 7.992 -7.234 1.00 0.00 H new ATOM 530 N ASN A 39 -0.304 8.144 -8.887 1.00 0.00 N ATOM 531 CA ASN A 39 -1.545 8.084 -9.651 1.00 0.00 C ATOM 532 C ASN A 39 -2.677 7.510 -8.804 1.00 0.00 C ATOM 533 O ASN A 39 -2.991 6.321 -8.867 1.00 0.00 O ATOM 534 CB ASN A 39 -1.353 7.236 -10.909 1.00 0.00 C ATOM 535 CG ASN A 39 -2.284 7.649 -12.033 1.00 0.00 C ATOM 536 OD1 ASN A 39 -2.219 8.776 -12.525 1.00 0.00 O ATOM 537 ND2 ASN A 39 -3.157 6.737 -12.444 1.00 0.00 N ATOM 0 H ASN A 39 -0.070 7.282 -8.394 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.813 9.099 -9.943 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.320 7.321 -11.247 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.524 6.187 -10.666 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.809 6.958 -13.196 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.175 5.815 -12.007 1.00 0.00 H new ATOM 544 N PRO A 40 -3.307 8.373 -7.994 1.00 0.00 N ATOM 545 CA PRO A 40 -4.414 7.976 -7.120 1.00 0.00 C ATOM 546 C PRO A 40 -5.678 7.639 -7.904 1.00 0.00 C ATOM 547 O PRO A 40 -6.605 7.028 -7.372 1.00 0.00 O ATOM 548 CB PRO A 40 -4.640 9.213 -6.247 1.00 0.00 C ATOM 549 CG PRO A 40 -4.134 10.351 -7.065 1.00 0.00 C ATOM 550 CD PRO A 40 -2.985 9.805 -7.868 1.00 0.00 C ATOM 0 HA PRO A 40 -4.182 7.075 -6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.695 9.339 -6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.102 9.135 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.916 10.741 -7.717 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.809 11.175 -6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.911 10.287 -8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.032 9.960 -7.362 1.00 0.00 H new ATOM 558 N ASN A 41 -5.709 8.041 -9.170 1.00 0.00 N ATOM 559 CA ASN A 41 -6.860 7.781 -10.027 1.00 0.00 C ATOM 560 C ASN A 41 -6.427 7.131 -11.337 1.00 0.00 C ATOM 561 O ASN A 41 -6.216 7.812 -12.341 1.00 0.00 O ATOM 562 CB ASN A 41 -7.612 9.083 -10.314 1.00 0.00 C ATOM 563 CG ASN A 41 -8.575 9.451 -9.202 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.706 8.967 -9.160 1.00 0.00 O ATOM 565 ND2 ASN A 41 -8.130 10.313 -8.296 1.00 0.00 N ATOM 0 H ASN A 41 -4.950 8.548 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.524 7.093 -9.503 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.894 9.891 -10.452 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.162 8.983 -11.249 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.733 10.600 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.185 10.689 -8.371 1.00 0.00 H new ATOM 572 N VAL A 42 -6.297 5.808 -11.321 1.00 0.00 N ATOM 573 CA VAL A 42 -5.891 5.065 -12.507 1.00 0.00 C ATOM 574 C VAL A 42 -7.046 4.929 -13.493 1.00 0.00 C ATOM 575 O VAL A 42 -6.991 5.450 -14.606 1.00 0.00 O ATOM 576 CB VAL A 42 -5.375 3.661 -12.141 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.790 2.971 -13.364 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.347 3.746 -11.023 1.00 0.00 C ATOM 0 H VAL A 42 -6.467 5.229 -10.499 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.084 5.630 -12.973 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.216 3.065 -11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.431 1.980 -13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.559 2.876 -14.131 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.961 3.562 -13.753 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.993 2.745 -10.777 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.506 4.359 -11.348 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.804 4.196 -10.142 1.00 0.00 H new ATOM 588 N GLY A 43 -8.094 4.225 -13.074 1.00 0.00 N ATOM 589 CA GLY A 43 -9.249 4.034 -13.932 1.00 0.00 C ATOM 590 C GLY A 43 -9.873 2.662 -13.767 1.00 0.00 C ATOM 591 O GLY A 43 -10.206 2.002 -14.750 1.00 0.00 O ATOM 0 H GLY A 43 -8.163 3.784 -12.157 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.994 4.798 -13.709 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.952 4.172 -14.972 1.00 0.00 H new ATOM 595 N GLY A 44 -10.029 2.231 -12.519 1.00 0.00 N ATOM 596 CA GLY A 44 -10.615 0.930 -12.251 1.00 0.00 C ATOM 597 C GLY A 44 -10.449 0.506 -10.805 1.00 0.00 C ATOM 598 O GLY A 44 -10.324 -0.682 -10.510 1.00 0.00 O ATOM 0 H GLY A 44 -9.760 2.759 -11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.676 0.955 -12.500 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.153 0.186 -12.900 1.00 0.00 H new ATOM 602 N GLY A 45 -10.445 1.481 -9.901 1.00 0.00 N ATOM 603 CA GLY A 45 -10.291 1.182 -8.489 1.00 0.00 C ATOM 604 C GLY A 45 -8.860 0.839 -8.122 1.00 0.00 C ATOM 605 O GLY A 45 -8.615 0.155 -7.129 1.00 0.00 O ATOM 0 H GLY A 45 -10.546 2.472 -10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.618 2.040 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.941 0.348 -8.224 1.00 0.00 H new ATOM 609 N TRP A 46 -7.915 1.314 -8.926 1.00 0.00 N ATOM 610 CA TRP A 46 -6.502 1.052 -8.681 1.00 0.00 C ATOM 611 C TRP A 46 -5.713 2.355 -8.601 1.00 0.00 C ATOM 612 O TRP A 46 -6.141 3.385 -9.123 1.00 0.00 O ATOM 613 CB TRP A 46 -5.928 0.161 -9.784 1.00 0.00 C ATOM 614 CG TRP A 46 -6.223 -1.295 -9.584 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.452 -1.890 -9.584 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.269 -2.338 -9.354 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.320 -3.240 -9.367 1.00 0.00 N ATOM 618 CE2 TRP A 46 -5.991 -3.540 -9.224 1.00 0.00 C ATOM 619 CE3 TRP A 46 -3.876 -2.373 -9.248 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.365 -4.762 -8.992 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.257 -3.587 -9.017 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.000 -4.768 -8.892 1.00 0.00 C ATOM 0 H TRP A 46 -8.102 1.882 -9.752 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.414 0.536 -7.725 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.333 0.478 -10.745 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.848 0.303 -9.831 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.390 -1.375 -9.733 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.087 -3.910 -9.320 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.294 -1.468 -9.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.937 -5.673 -8.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.181 -3.626 -8.931 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.486 -5.701 -8.713 1.00 0.00 H new ATOM 633 N LEU A 47 -4.559 2.303 -7.945 1.00 0.00 N ATOM 634 CA LEU A 47 -3.709 3.479 -7.797 1.00 0.00 C ATOM 635 C LEU A 47 -2.274 3.171 -8.212 1.00 0.00 C ATOM 636 O LEU A 47 -1.906 2.010 -8.390 1.00 0.00 O ATOM 637 CB LEU A 47 -3.738 3.975 -6.350 1.00 0.00 C ATOM 638 CG LEU A 47 -2.873 3.198 -5.357 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.468 3.778 -5.304 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.509 3.208 -3.974 1.00 0.00 C ATOM 0 H LEU A 47 -4.190 1.459 -7.507 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.096 4.260 -8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.422 5.018 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.770 3.951 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.804 2.164 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.867 3.212 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.012 3.718 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.516 4.821 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.880 2.650 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.609 4.236 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.494 2.744 -4.023 1.00 0.00 H new ATOM 652 N GLU A 48 -1.469 4.218 -8.362 1.00 0.00 N ATOM 653 CA GLU A 48 -0.074 4.057 -8.755 1.00 0.00 C ATOM 654 C GLU A 48 0.850 4.806 -7.799 1.00 0.00 C ATOM 655 O GLU A 48 0.518 5.889 -7.319 1.00 0.00 O ATOM 656 CB GLU A 48 0.138 4.559 -10.185 1.00 0.00 C ATOM 657 CG GLU A 48 1.313 3.905 -10.892 1.00 0.00 C ATOM 658 CD GLU A 48 1.313 4.166 -12.386 1.00 0.00 C ATOM 659 OE1 GLU A 48 0.481 3.561 -13.094 1.00 0.00 O ATOM 660 OE2 GLU A 48 2.145 4.976 -12.847 1.00 0.00 O ATOM 0 H GLU A 48 -1.758 5.185 -8.218 1.00 0.00 H new ATOM 0 HA GLU A 48 0.169 2.995 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.769 4.379 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.293 5.638 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.243 4.276 -10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.286 2.830 -10.715 1.00 0.00 H new ATOM 667 N GLY A 49 2.012 4.220 -7.528 1.00 0.00 N ATOM 668 CA GLY A 49 2.967 4.845 -6.630 1.00 0.00 C ATOM 669 C GLY A 49 4.391 4.402 -6.899 1.00 0.00 C ATOM 670 O GLY A 49 4.622 3.424 -7.611 1.00 0.00 O ATOM 0 H GLY A 49 2.310 3.324 -7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.901 5.928 -6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.703 4.605 -5.600 1.00 0.00 H new ATOM 674 N LYS A 50 5.351 5.124 -6.331 1.00 0.00 N ATOM 675 CA LYS A 50 6.761 4.802 -6.512 1.00 0.00 C ATOM 676 C LYS A 50 7.482 4.739 -5.170 1.00 0.00 C ATOM 677 O LYS A 50 7.323 5.622 -4.328 1.00 0.00 O ATOM 678 CB LYS A 50 7.431 5.841 -7.415 1.00 0.00 C ATOM 679 CG LYS A 50 8.925 5.629 -7.581 1.00 0.00 C ATOM 680 CD LYS A 50 9.486 6.477 -8.710 1.00 0.00 C ATOM 681 CE LYS A 50 9.758 7.903 -8.255 1.00 0.00 C ATOM 682 NZ LYS A 50 11.104 8.039 -7.632 1.00 0.00 N ATOM 0 H LYS A 50 5.177 5.937 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 50 6.826 3.822 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.958 5.816 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.257 6.835 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.434 5.878 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.124 4.576 -7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.409 6.029 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.782 6.488 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.683 8.577 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.994 8.208 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.251 9.025 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.167 7.415 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.835 7.772 -8.322 1.00 0.00 H new ATOM 696 N ASN A 51 8.276 3.691 -4.978 1.00 0.00 N ATOM 697 CA ASN A 51 9.023 3.514 -3.738 1.00 0.00 C ATOM 698 C ASN A 51 10.401 4.161 -3.835 1.00 0.00 C ATOM 699 O ASN A 51 10.820 4.594 -4.908 1.00 0.00 O ATOM 700 CB ASN A 51 9.167 2.026 -3.413 1.00 0.00 C ATOM 701 CG ASN A 51 9.896 1.265 -4.503 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.505 1.861 -5.392 1.00 0.00 O ATOM 703 ND2 ASN A 51 9.838 -0.061 -4.439 1.00 0.00 N ATOM 0 H ASN A 51 8.419 2.951 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 51 8.468 4.002 -2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.705 1.913 -2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.178 1.591 -3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.310 -0.627 -5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.322 -0.513 -3.684 1.00 0.00 H new ATOM 710 N ASN A 52 11.101 4.223 -2.707 1.00 0.00 N ATOM 711 CA ASN A 52 12.432 4.817 -2.665 1.00 0.00 C ATOM 712 C ASN A 52 13.311 4.261 -3.781 1.00 0.00 C ATOM 713 O ASN A 52 14.082 4.992 -4.403 1.00 0.00 O ATOM 714 CB ASN A 52 13.087 4.557 -1.307 1.00 0.00 C ATOM 715 CG ASN A 52 14.404 5.291 -1.150 1.00 0.00 C ATOM 716 OD1 ASN A 52 15.094 5.568 -2.131 1.00 0.00 O ATOM 717 ND2 ASN A 52 14.759 5.611 0.089 1.00 0.00 N ATOM 0 H ASN A 52 10.769 3.869 -1.810 1.00 0.00 H new ATOM 0 HA ASN A 52 12.328 5.892 -2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.406 4.865 -0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.254 3.487 -1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.635 6.106 0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.156 5.361 0.873 1.00 0.00 H new ATOM 724 N LYS A 53 13.190 2.961 -4.030 1.00 0.00 N ATOM 725 CA LYS A 53 13.971 2.305 -5.072 1.00 0.00 C ATOM 726 C LYS A 53 13.729 2.960 -6.428 1.00 0.00 C ATOM 727 O LYS A 53 14.620 3.004 -7.275 1.00 0.00 O ATOM 728 CB LYS A 53 13.619 0.818 -5.142 1.00 0.00 C ATOM 729 CG LYS A 53 14.064 0.029 -3.923 1.00 0.00 C ATOM 730 CD LYS A 53 13.572 -1.408 -3.978 1.00 0.00 C ATOM 731 CE LYS A 53 14.035 -2.202 -2.766 1.00 0.00 C ATOM 732 NZ LYS A 53 13.429 -3.562 -2.729 1.00 0.00 N ATOM 0 H LYS A 53 12.558 2.341 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 53 15.026 2.411 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.540 0.714 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.078 0.386 -6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.152 0.040 -3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.687 0.509 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.483 -1.419 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.937 -1.884 -4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.121 -2.289 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.772 -1.662 -1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.769 -4.071 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.393 -3.479 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.701 -4.087 -3.585 1.00 0.00 H new ATOM 746 N GLY A 54 12.517 3.470 -6.626 1.00 0.00 N ATOM 747 CA GLY A 54 12.180 4.117 -7.880 1.00 0.00 C ATOM 748 C GLY A 54 11.307 3.249 -8.764 1.00 0.00 C ATOM 749 O GLY A 54 11.171 3.508 -9.960 1.00 0.00 O ATOM 0 H GLY A 54 11.763 3.446 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.664 5.055 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.097 4.368 -8.414 1.00 0.00 H new ATOM 753 N GLU A 55 10.714 2.215 -8.176 1.00 0.00 N ATOM 754 CA GLU A 55 9.852 1.304 -8.920 1.00 0.00 C ATOM 755 C GLU A 55 8.396 1.754 -8.849 1.00 0.00 C ATOM 756 O GLU A 55 7.810 1.827 -7.770 1.00 0.00 O ATOM 757 CB GLU A 55 9.984 -0.119 -8.374 1.00 0.00 C ATOM 758 CG GLU A 55 11.378 -0.703 -8.528 1.00 0.00 C ATOM 759 CD GLU A 55 11.699 -1.079 -9.961 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.673 -0.181 -10.829 1.00 0.00 O ATOM 761 OE2 GLU A 55 11.976 -2.270 -10.215 1.00 0.00 O ATOM 0 H GLU A 55 10.815 1.987 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 55 10.168 1.316 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.713 -0.121 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.270 -0.764 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.112 0.021 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.470 -1.586 -7.896 1.00 0.00 H new ATOM 768 N GLN A 56 7.819 2.056 -10.008 1.00 0.00 N ATOM 769 CA GLN A 56 6.432 2.501 -10.078 1.00 0.00 C ATOM 770 C GLN A 56 5.546 1.425 -10.698 1.00 0.00 C ATOM 771 O GLN A 56 5.840 0.910 -11.776 1.00 0.00 O ATOM 772 CB GLN A 56 6.329 3.794 -10.889 1.00 0.00 C ATOM 773 CG GLN A 56 5.081 4.606 -10.582 1.00 0.00 C ATOM 774 CD GLN A 56 5.055 5.934 -11.314 1.00 0.00 C ATOM 775 OE1 GLN A 56 4.322 6.104 -12.288 1.00 0.00 O ATOM 776 NE2 GLN A 56 5.856 6.884 -10.846 1.00 0.00 N ATOM 0 H GLN A 56 8.290 2.001 -10.911 1.00 0.00 H new ATOM 0 HA GLN A 56 6.086 2.690 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.209 4.407 -10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.341 3.549 -11.951 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.199 4.027 -10.856 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.024 4.786 -9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.447 6.699 -10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.880 7.799 -11.297 1.00 0.00 H new ATOM 785 N GLY A 57 4.459 1.091 -10.010 1.00 0.00 N ATOM 786 CA GLY A 57 3.547 0.078 -10.509 1.00 0.00 C ATOM 787 C GLY A 57 2.126 0.288 -10.025 1.00 0.00 C ATOM 788 O GLY A 57 1.868 1.158 -9.191 1.00 0.00 O ATOM 0 H GLY A 57 4.193 1.504 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.561 0.086 -11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.894 -0.906 -10.193 1.00 0.00 H new ATOM 792 N LEU A 58 1.201 -0.508 -10.548 1.00 0.00 N ATOM 793 CA LEU A 58 -0.203 -0.404 -10.166 1.00 0.00 C ATOM 794 C LEU A 58 -0.488 -1.223 -8.910 1.00 0.00 C ATOM 795 O LEU A 58 -0.003 -2.345 -8.766 1.00 0.00 O ATOM 796 CB LEU A 58 -1.101 -0.877 -11.311 1.00 0.00 C ATOM 797 CG LEU A 58 -1.016 -0.071 -12.607 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.640 -0.843 -13.758 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.695 1.281 -12.439 1.00 0.00 C ATOM 0 H LEU A 58 1.397 -1.233 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.419 0.643 -9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.854 -1.915 -11.535 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.135 -0.863 -10.965 1.00 0.00 H new ATOM 0 HG LEU A 58 0.036 0.099 -12.839 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.570 -0.253 -14.672 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.110 -1.786 -13.893 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.688 -1.044 -13.535 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.625 1.842 -13.371 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.744 1.132 -12.183 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.203 1.839 -11.642 1.00 0.00 H new ATOM 811 N VAL A 59 -1.278 -0.654 -8.005 1.00 0.00 N ATOM 812 CA VAL A 59 -1.630 -1.332 -6.763 1.00 0.00 C ATOM 813 C VAL A 59 -3.108 -1.150 -6.438 1.00 0.00 C ATOM 814 O VAL A 59 -3.677 -0.071 -6.602 1.00 0.00 O ATOM 815 CB VAL A 59 -0.788 -0.812 -5.583 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.229 -1.468 -4.283 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.692 -1.054 -5.836 1.00 0.00 C ATOM 0 H VAL A 59 -1.686 0.275 -8.109 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.421 -2.392 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.946 0.263 -5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.623 -1.089 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.278 -1.238 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.102 -2.548 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.271 -0.680 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.871 -2.123 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.996 -0.533 -6.744 1.00 0.00 H new ATOM 827 N PRO A 60 -3.747 -2.231 -5.965 1.00 0.00 N ATOM 828 CA PRO A 60 -5.168 -2.216 -5.606 1.00 0.00 C ATOM 829 C PRO A 60 -5.441 -1.387 -4.356 1.00 0.00 C ATOM 830 O PRO A 60 -4.957 -1.704 -3.269 1.00 0.00 O ATOM 831 CB PRO A 60 -5.483 -3.692 -5.348 1.00 0.00 C ATOM 832 CG PRO A 60 -4.177 -4.298 -4.966 1.00 0.00 C ATOM 833 CD PRO A 60 -3.130 -3.550 -5.745 1.00 0.00 C ATOM 0 HA PRO A 60 -5.781 -1.764 -6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.220 -3.806 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.896 -4.170 -6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.004 -4.208 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.155 -5.361 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.196 -3.469 -5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.898 -4.047 -6.687 1.00 0.00 H new ATOM 841 N THR A 61 -6.220 -0.322 -4.517 1.00 0.00 N ATOM 842 CA THR A 61 -6.558 0.554 -3.402 1.00 0.00 C ATOM 843 C THR A 61 -7.083 -0.245 -2.214 1.00 0.00 C ATOM 844 O THR A 61 -7.099 0.242 -1.084 1.00 0.00 O ATOM 845 CB THR A 61 -7.612 1.601 -3.808 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.808 0.947 -4.247 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.083 2.499 -4.917 1.00 0.00 C ATOM 0 H THR A 61 -6.629 -0.045 -5.409 1.00 0.00 H new ATOM 0 HA THR A 61 -5.640 1.067 -3.115 1.00 0.00 H new ATOM 0 HB THR A 61 -7.834 2.218 -2.937 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.712 0.686 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.845 3.230 -5.187 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.189 3.017 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.836 1.893 -5.789 1.00 0.00 H new ATOM 855 N ASP A 62 -7.511 -1.475 -2.478 1.00 0.00 N ATOM 856 CA ASP A 62 -8.036 -2.343 -1.430 1.00 0.00 C ATOM 857 C ASP A 62 -6.923 -2.790 -0.487 1.00 0.00 C ATOM 858 O ASP A 62 -7.128 -2.905 0.721 1.00 0.00 O ATOM 859 CB ASP A 62 -8.721 -3.564 -2.045 1.00 0.00 C ATOM 860 CG ASP A 62 -9.665 -3.191 -3.172 1.00 0.00 C ATOM 861 OD1 ASP A 62 -9.189 -3.025 -4.315 1.00 0.00 O ATOM 862 OD2 ASP A 62 -10.880 -3.068 -2.911 1.00 0.00 O ATOM 0 H ASP A 62 -7.505 -1.893 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.769 -1.776 -0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.963 -4.251 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.275 -4.094 -1.271 1.00 0.00 H new ATOM 867 N TYR A 63 -5.746 -3.042 -1.048 1.00 0.00 N ATOM 868 CA TYR A 63 -4.601 -3.481 -0.258 1.00 0.00 C ATOM 869 C TYR A 63 -4.071 -2.344 0.611 1.00 0.00 C ATOM 870 O TYR A 63 -3.717 -2.547 1.772 1.00 0.00 O ATOM 871 CB TYR A 63 -3.491 -3.998 -1.173 1.00 0.00 C ATOM 872 CG TYR A 63 -3.663 -5.445 -1.576 1.00 0.00 C ATOM 873 CD1 TYR A 63 -4.758 -5.851 -2.329 1.00 0.00 C ATOM 874 CD2 TYR A 63 -2.732 -6.406 -1.203 1.00 0.00 C ATOM 875 CE1 TYR A 63 -4.920 -7.172 -2.699 1.00 0.00 C ATOM 876 CE2 TYR A 63 -2.885 -7.729 -1.570 1.00 0.00 C ATOM 877 CZ TYR A 63 -3.981 -8.107 -2.318 1.00 0.00 C ATOM 878 OH TYR A 63 -4.138 -9.425 -2.684 1.00 0.00 O ATOM 0 H TYR A 63 -5.559 -2.950 -2.047 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.931 -4.290 0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.455 -3.381 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.532 -3.882 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.495 -5.121 -2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.874 -6.114 -0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.778 -7.471 -3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.151 -8.463 -1.273 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.389 -9.952 -2.336 1.00 0.00 H new ATOM 888 N VAL A 64 -4.021 -1.145 0.039 1.00 0.00 N ATOM 889 CA VAL A 64 -3.537 0.027 0.760 1.00 0.00 C ATOM 890 C VAL A 64 -4.610 1.107 0.837 1.00 0.00 C ATOM 891 O VAL A 64 -5.182 1.500 -0.179 1.00 0.00 O ATOM 892 CB VAL A 64 -2.278 0.615 0.094 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.313 -0.494 -0.297 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.660 1.453 -1.118 1.00 0.00 C ATOM 0 H VAL A 64 -4.310 -0.960 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.285 -0.303 1.768 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.776 1.263 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.430 -0.060 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.016 -1.048 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.801 -1.170 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.759 1.861 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.185 0.829 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.310 2.270 -0.805 1.00 0.00 H new ATOM 904 N GLU A 65 -4.876 1.583 2.049 1.00 0.00 N ATOM 905 CA GLU A 65 -5.881 2.619 2.259 1.00 0.00 C ATOM 906 C GLU A 65 -5.227 3.990 2.403 1.00 0.00 C ATOM 907 O GLU A 65 -4.521 4.253 3.377 1.00 0.00 O ATOM 908 CB GLU A 65 -6.716 2.306 3.502 1.00 0.00 C ATOM 909 CG GLU A 65 -5.929 2.385 4.799 1.00 0.00 C ATOM 910 CD GLU A 65 -6.670 1.767 5.969 1.00 0.00 C ATOM 911 OE1 GLU A 65 -7.772 2.255 6.298 1.00 0.00 O ATOM 912 OE2 GLU A 65 -6.149 0.796 6.556 1.00 0.00 O ATOM 0 H GLU A 65 -4.410 1.268 2.900 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.535 2.638 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.553 3.002 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.138 1.306 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.973 1.878 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.709 3.429 5.023 1.00 0.00 H new ATOM 919 N ILE A 66 -5.468 4.859 1.428 1.00 0.00 N ATOM 920 CA ILE A 66 -4.903 6.203 1.447 1.00 0.00 C ATOM 921 C ILE A 66 -5.286 6.942 2.724 1.00 0.00 C ATOM 922 O ILE A 66 -6.425 6.859 3.186 1.00 0.00 O ATOM 923 CB ILE A 66 -5.370 7.027 0.231 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.816 6.425 -1.062 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.934 8.477 0.376 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.340 7.096 -2.313 1.00 0.00 C ATOM 0 H ILE A 66 -6.050 4.657 0.615 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.820 6.091 1.406 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.459 6.998 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.728 6.496 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.066 5.365 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.271 9.047 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.371 8.900 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.847 8.525 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.906 6.618 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.425 7.002 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.067 8.151 -2.301 1.00 0.00 H new ATOM 938 N LEU A 67 -4.328 7.668 3.291 1.00 0.00 N ATOM 939 CA LEU A 67 -4.565 8.425 4.516 1.00 0.00 C ATOM 940 C LEU A 67 -4.916 9.875 4.200 1.00 0.00 C ATOM 941 O LEU A 67 -4.419 10.465 3.241 1.00 0.00 O ATOM 942 CB LEU A 67 -3.331 8.372 5.418 1.00 0.00 C ATOM 943 CG LEU A 67 -2.811 6.976 5.764 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.398 7.054 6.318 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.739 6.293 6.758 1.00 0.00 C ATOM 0 H LEU A 67 -3.380 7.748 2.922 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.408 7.972 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.528 8.927 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.563 8.892 6.347 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.788 6.381 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.045 6.051 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.739 7.501 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.394 7.666 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.354 5.301 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.795 6.886 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.734 6.202 6.323 1.00 0.00 H new ATOM 957 N PRO A 68 -5.792 10.465 5.027 1.00 0.00 N ATOM 958 CA PRO A 68 -6.228 11.855 4.858 1.00 0.00 C ATOM 959 C PRO A 68 -5.116 12.852 5.165 1.00 0.00 C ATOM 960 O PRO A 68 -4.279 12.614 6.035 1.00 0.00 O ATOM 961 CB PRO A 68 -7.367 11.995 5.870 1.00 0.00 C ATOM 962 CG PRO A 68 -7.078 10.969 6.910 1.00 0.00 C ATOM 963 CD PRO A 68 -6.425 9.822 6.190 1.00 0.00 C ATOM 0 HA PRO A 68 -6.524 12.068 3.831 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.394 12.997 6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.336 11.822 5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.421 11.370 7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.994 10.648 7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.691 9.318 6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.154 9.071 5.886 1.00 0.00 H new